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1H-Pyrrole-2-carboxylicacid,4-acetyl-1-methyl-(9CI)

1H-Pyrrole-2-carboxylicacid,4-acetyl-1-methyl-(9CI) structure

CAS No:
339011-93-7
Formula:
C8H9NO3
Chemical Name:
1H-Pyrrole-2-carboxylicacid,4-acetyl-1-methyl-(9CI)
Synonyms:
1H-Pyrrole-2-carboxylic acid, 4-acetyl-1-methyl- (9CI);4-acetyl-1-methylpyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 4-acetyl-1-methyl-

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1H-Pyrrole-2-carboxylicacid,4-acetyl-1-methyl-(9CI) Basic Attributes

Molecular Weight：

167.16

Exact Mass：

167.058243149

DSSTox ID：

DTXSID10377371

HScode：

2933990090

Characteristics

PSA：

59.30000

XLogP3：

0.92590

Density：

1.25±0.1 g/cm3

Melting Point：

187～189℃

Boiling Point：

366.3±27.0 °C(Predicted)

PKA：

3.88±0.41

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.16
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:59.3
Heavy Atom Count:12
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl chloride; pyrazine; tin indium silver alloy dsc; miconazole nitrate; feno33; phthalic acid

Guide of 1H-Pyrrole-2-carboxylicacid,4-acetyl-1-methyl-(9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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